SCHEMBL27211481

SCHEMBL27211481

CC(Br)C(=O)Nc1ccc(Oc2ccc(F)c(F)c2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MET P08581 3/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ RAB9A P51151 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24297725 0.85 MAPK14 (0.44) FFAR2LMNAALDH1A1METMAPT
SCHEMBL29077942 0.85 MAPK14 (0.44) FFAR2LMNAALDH1A1METMAPT
SCHEMBL27211133 0.85 IDO1 (0.41) FFAR2TDP1LMNAALDH1A1MET
SCHEMBL27211370 0.84 MRGPRX2 (0.42) FFAR2TDP1ACACB
SCHEMBL29564440 0.84 MRGPRX2 (0.42) FFAR2TDP1ACACB
SCHEMBL31132558 0.83 IDO1 (0.42) FFAR2TDP1LMNAALDH1A1IDO1
SCHEMBL24298066 0.82 FFAR2 (0.45) FFAR2LMNAALDH1A1KDM4ERAB9A
SCHEMBL27211262 0.81 GCK (0.46) TDP1LMNAALDH1A1METL3MBTL1
SCHEMBL24932158 0.80 ALDH1A1 (0.50) TDP1LMNAALDH1A1METKDM4E
SCHEMBL27210967 0.80 ALDH1A1 (0.40) FFAR2TDP1LMNAALDH1A1MET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 — — US disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 FFAR2 541/4885TDP1 4070/4885LMNA 1856/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 FFAR2 541/4885TDP1 4070/4885LMNA 1856/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback